Bis(chloromethyl) ether

C₂H₄Cl₂OCAS 542-88-1114.95 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₂H₄Cl₂O
Molar mass: 114.95 g/mol
Exact mass: 113.9639 Da
Density: 1.323 g/mL (at 15 °C)
Melting point: −41.5 °C
Boiling point: 106 °C
Flash point: 19 °C (closed cup)
Water solubility: 1.02 g/L (25 °C)
logP: 1.40Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P318, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

542-88-1

SMILES

ClCOCCl

InChIKey

HRQGCQVOJVTVLU-UHFFFAOYSA-N

InChI

InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Methane, 1,1′-oxybis[1-chloro-
Ether, bis(chloromethyl)
Methane, oxybis[chloro-
1,1′-Oxybis[1-chloromethane]
Chloromethyl ether
Sym-Dichloromethyl ether
Dichlorodimethyl ether
α,α′-Dichlorodimethyl ether
Monochloromethyl ether
Oxybis[chloromethane]
BCME

Reactions

MONOCHLOROMETHYL ETHER (Ether, chloromethyl methyl)product

Work with Bis(chloromethyl) ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Chloromethoxy)ethane3188-13-453 % similar 2-Methoxyethoxymethyl chloride3970-21-644 % similar Chloromethyl methyl ether107-30-240 % similar 2-(Trimethylsilyl)ethoxymethyl chloride76513-69-440 % similar Benzyl chloromethyl ether3587-60-838 % similar Bis(chloroethyl) ether111-44-433 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-531 % similar Chloromethyl chloroformate22128-62-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dichloromethyl methyl ether4885-02-3 Dichloroethanol598-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia